| CAS Number | 1261928-17-9 |
| Catalog Number | AG009X0R(AGN-PC-0WABB6) |
| Chemical Name | 5-Chloro-3-(thiophen-2-yl)benzoic acid |
| IUPAC Name | 3-chloro-5-thiophen-2-ylbenzoic acid |
| InChI | InChI=1S/C11H7ClO2S/c12-9-5-7(10-2-1-3-15-10)4-8(6-9)11(13)14/h1-6H,(H,13,14) |
| InChI Key | GLHZROZJLPKPCJ-UHFFFAOYSA-N |
| MDL Number | MFCD18318866 |
| Molecular Formula | C11H7ClO2S |
| Molecular Weight | 238.6901 |
| SMILES | Clc1cc(cc(c1)c1cccs1)C(=O)O |
| Synonyms | 5-CHLORO-3-(THIOPHEN-2-YL)BENZOIC ACID,
1261928-17-9,
3-Chloro-5-(thiophen-2-yl)benzoic acid,
DTXSID40688543,
MFCD18318866,
ZINC65349412,
K-2710,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.685g/mol |
| Monoisotopic Mass | 237.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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